4-Chloro-3-(trifluoromethyl)phenol
TL;DR: 4-Chloro-3-(trifluoromethyl)phenol (CAS 6294-93-5) is a chemical compound with molecular formula C7H4ClF3O and molecular weight 195.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(trifluoromethyl)phenol
Also Known As: 4-Chloro-3-(trifluoromethyl)phenol, 2-Chloro-5-hydroxybenzotrifluoride, 4-Chloro-3-trifluoromethylphenol, Phenol, p-chloro-m-trifluoromethyl-, HEXACHLOROETHANE
| Molecular Formula | C7H4ClF3O |
|---|---|
| Molecular Weight | 195.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.99028 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 6294-93-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)C(F)(F)F)Cl |
| InChIKey | ZLFPIEUWXNRPNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-3-(trifluoromethyl)phenol (CAS 6294-93-5), with molecular formula C7H4ClF3O and molecular weight 195.99 g/mol. IUPAC: 4-chloro-3-(trifluoromethyl)phenol.
Chemical Property Profile of 4-Chloro-3-(trifluoromethyl)phenol
Property Insights of 4-Chloro-3-(trifluoromethyl)phenol
The XLogP value of 3.8 indicates that 4-Chloro-3-(trifluoromethyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Chloro-3-(trifluoromethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-(trifluoromethyl)phenol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chloro-3-(trifluoromethyl)phenol?
The CAS number of 4-Chloro-3-(trifluoromethyl)phenol is 6294-93-5.
What is the molecular formula of 4-Chloro-3-(trifluoromethyl)phenol?
The molecular formula of 4-Chloro-3-(trifluoromethyl)phenol is C7H4ClF3O.
What is the molecular weight of 4-Chloro-3-(trifluoromethyl)phenol?
The molecular weight of 4-Chloro-3-(trifluoromethyl)phenol is 195.99 g/mol.
Where can I buy 4-Chloro-3-(trifluoromethyl)phenol?
You can request a quote for 4-Chloro-3-(trifluoromethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-(trifluoromethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-(trifluoromethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.